| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 19 | Yes |
Popular Name: (2R)-3-[ethyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]amino]-2-methyl-propanenitrile (2R)-3-[ethyl-[[5-(2-thienyl)iso…
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| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.08 | 6.51 | -9.67 | 0 | 4 | 0 | 53 | 275.377 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 8.87 | -50.9 | 1 | 4 | 1 | 54 | 276.385 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
